N-ethyl-N-(phenylmethyl)ethanamine; 4-methylbenzenesulfonic acid

Systemtic Name: N-ethyl-N-(phenylmethyl)ethanamine; 4-methylbenzenesulfonic acid Openeye Name: N-benzyl-N-ethyl-ethanamine; 4-methylbenzenesulfonic acid CAS Name: N-ethyl-N-(phenylmethyl)ethanamine; 4-methylbenzenesulfonic acid IUPAC Name: N-benzyl-N-ethylethanamine; 4-methylbenzenesulfonic acid Traditional Name: benzyl(diethyl)amine; tosylic acid Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCN(CC)CC1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C11H17N.C7H8O3S/c1-3-12(4-2)10-11-8-6-5-7-9-11;1-6-2-4-7(5-3-6)11(8,9)10/h5-9H,3-4,10H2,1-2H3;2-5H,1H3,(H,8,9,10)